2-Furan-2-yl-2,3-dihydro-1H-quinazolin-4-one

Base Information

• Chemical Name: 2-Furan-2-yl-2,3-dihydro-1H-quinazolin-4-one
• CAS No.: 16285-26-0
• Molecular Formula: C12H10N2O2
• Molecular Weight: 214.224
• DSSTox Substance ID: DTXSID60349624
• Nikkaji Number: J2.212.300I
• ChEMBL ID: CHEMBL1491807
• Mol file: 16285-26-0.mol

Synonyms:16285-26-0;2-Furan-2-yl-2,3-dihydro-1H-quinazolin-4-one;2-(furan-2-yl)-2,3-dihydroquinazolin-4(1H)-one;2-(furan-2-yl)-2,3-dihydro-1H-quinazolin-4-one;4(1H)-Quinazolinone, 2-(2-furanyl)-2,3-dihydro-;2-(furan-2-yl)-1,2,3,4-tetrahydroquinazolin-4-one;BAS 00739657;2-(2-furyl)-2,3-dihydro-4(1H)-quinazolinone;Oprea1_127445;Oprea1_250945;MLS000069139;CHEMBL1491807;DTXSID60349624;HMS1694F08;HMS2277G06;MFCD00102818;AKOS000301551;AKOS016314961;SMR000009516;BB 0219809;CS-0328598;AG-690/12868725;SR-01000326676;SR-01000326676-1;F3099-5823

Chemical Property of 2-Furan-2-yl-2,3-dihydro-1H-quinazolin-4-one

Chemical Property:

• Melting Point: 166-167 °C(Solv: ethanol (64-17-5))
• Boiling Point: 502.4±50.0 °C(Predicted)
• PKA: 12.14±0.40(Predicted)
• PSA: 57.76000
• Density: 1.246±0.06 g/cm3(Predicted)
• LogP: 2.28210
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 214.074227566
• Heavy Atom Count: 16
• Complexity: 282

Purity/Quality:

98%min ^*data from raw suppliers

2-Furan-2-yl-2,3-dihydro-1H-quinazolin-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=CO3

Technology Process of 2-Furan-2-yl-2,3-dihydro-1H-quinazolin-4-one

There total 7 articles about 2-Furan-2-yl-2,3-dihydro-1H-quinazolin-4-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

furfural (98-01-1) + isatoic anhydride (118-48-9) + ammonium acetate (631-61-8,92206-38-7) → 2-(furan-2-yl)-2,3-dihydroquinazolin-4(1H)-one (16285-26-0)

Guidance literature:

With 3,3′-(butane-1,4-diyl)bis(1,2-dimethyl-1H-imidazole-3-ium) dibromide; for 0.1h; Microwave irradiation;

DOI:10.1134/S1070363215080265

Reference yield: 96.0%

furfural (98-01-1) + anthranilic acid amide (28144-70-9,88-68-6) → 2-(furan-2-yl)-2,3-dihydroquinazolin-4(1H)-one (16285-26-0)

Guidance literature:

With β-cyclodextrine-SO3H; In water; at 20 - 50 ℃; for 0.416667h; Green chemistry;

DOI:10.1039/c3gc42400f

Reference yield: 92.0%

furfural (98-01-1) + isatoic anhydride (118-48-9) → 2-(furan-2-yl)-2,3-dihydroquinazolin-4(1H)-one (16285-26-0)

Guidance literature:

With ammonium acetate; 2,2,2-trifluoroethanol; for 3h; chemoselective reaction; Reflux;

DOI:10.1016/j.crci.2012.05.019

upstream raw materials:

furfural

anthranilic acid amide

isatoic anhydride

(2-furyl)methyl alcohol

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